1112_tetrachloroethane                    −1.43    0.01   1.54      0.02   0.11       0.02   -1.28  
111_trichloroethane                       −1.13    0.00   1.88      0.02   0.75       0.02   -0.19  
111_trifluoro_222_trimethoxyethane        −4.57    0.01   2.31      0.02   −2.26    0.02   -0.80  
111_trifluoropropan_2_ol                  −6.05    0.02   2.49      0.02   −3.56    0.03   -4.16  
111_trimethoxyethane                      −5.55    0.01   1.66      0.02   −3.89    0.02   -4.42  
1122_tetrachloroethane                    −1.88    0.03   1.47      0.02   −0.41    0.04   -2.47  
112_trichloro_122_trifluoroethane         −0.32    0.00   1.85      0.02   1.53       0.02   1.77   
112_trichloroethane                       −2.01    0.02   1.51      0.02   −0.50    0.03   -1.99  
11_diacetoxyethane                        −9.52    0.09   1.62      0.03   −7.90    0.10   -4.97  
11_dichloroethane                         −1.64    0.01   1.81      0.02   0.17       0.02   -0.84  
11_dichloroethene                         −0.85    0.00   2.09      0.02   1.24       0.02   0.25   
11_diethoxyethane                         −4.57    0.01   2.39      0.02   −2.18    0.02   -3.28  
11_difluoroethane                         −2.41    0.01   2.60      0.02   0.19       0.02   -0.11  
1234_tetrachlorobenzene                   −1.25    0.01   0.93      0.02   −0.32    0.02   -1.34  
1235_tetrachlorobenzene                   −0.92    0.00   0.90      0.02   −0.02    0.02   -1.62  
123_trichlorobenzene                      −1.67    0.01   1.29      0.02   −0.38    0.02   -1.24  
123_trimethylbenzene                      −2.79    0.01   2.14      0.02   −0.65    0.02   -1.21  
1245_tetrachlorobenzene                   −0.97    0.00   1.22      0.02   0.25       0.02   -1.34  
124_trichlorobenzene                      −1.35    0.00   1.17      0.02   −0.18    0.02   -1.12  
124_trimethylbenzene                      −2.75    0.01   2.39      0.02   −0.36    0.02   -0.86  
12_diacetoxyethane                        −9.93    0.02   1.61      0.03   −8.32    0.04   -6.34  
12_dibromoethane                          −1.60    0.01   1.79      0.02   0.19       0.02   -2.33  
12_dichlorobenzene                        −1.96    0.01   1.32      0.02   −0.64    0.02   -1.36  
12_dichloroethane                         −2.15    0.01   1.63      0.02   −0.52    0.02   -1.79  
12_dichloropropane                        −2.13    0.01   1.93      0.02   −0.20    0.02   -1.27  
12_diethoxyethane                         −5.47    0.01   2.39      0.03   −3.08    0.03   -3.54  
12_dimethoxyethane                        −5.29    0.01   1.93      0.02   −3.36    0.02   -4.84  
12_ethanediol                             −8.71    0.02   1.09      0.02   −7.62    0.03   -9.30  
135_trichlorobenzene                      −0.96    0.00   1.41      0.02   0.45       0.02   -0.78  
135_trimethylbenzene                      −2.73    0.01   2.77      0.02   0.04       0.02   -0.90  
13_dichlorobenzene                        −1.60    0.01   1.61      0.02   0.01       0.02   -0.98  
13_dichloropropane                        −2.18    0.01   1.80      0.02   −0.38    0.02   -1.89  
13_dimethylnaphthalene                    −4.50    0.01   1.71      0.03   −2.79    0.03   -2.47  
14_dichlorobenzene                        −1.63    0.01   1.53      0.02   −0.10    0.02   -1.01  
14_dichlorobutane                         −2.38    0.01   2.11      0.02   −0.27    0.02   -2.32  
14_dimethyl_piperazine                    −8.20    0.02   0.80      0.02   −7.40    0.03   -7.58  
14_dimethylnaphthalene                    −4.50    0.01   1.21      0.03   −3.29    0.03   -2.82  
14_dioxane                                −4.71    0.01   0.36      0.02   −4.35    0.02   -5.06  
1_bromo_2_chloroethane                    −1.77    0.01   1.79      0.02   0.02       0.02   -1.95  
1_bromo_2_methylpropane                   −0.95    0.01   2.19      0.02   1.24       0.02   -0.03  
1_bromobutane                             −0.97    0.00   2.65      0.02   1.68       0.02   -0.40  
1_bromoheptane                            −0.97    0.00   2.63      0.03   1.66       0.03   0.34   
1_bromohexane                             −0.97    0.00   2.75      0.02   1.78       0.02   0.18   
1_bromooctane                             −0.97    0.00   2.89      0.03   1.92       0.03   0.52   
1_bromopentane                            −0.96    0.00   2.44      0.02   1.48       0.02   -0.10  
1_bromopropane                            −0.98    0.00   2.27      0.02   1.29       0.02   -0.56  
1_chloro_222_trifluoroethane              −2.27    0.01   2.43      0.02   0.16       0.02   0.06   
1_chlorobutane                            −1.22    0.01   2.21      0.02   0.99       0.02   -0.16  
1_chloroheptane                           −1.21    0.00   2.74      0.03   1.53       0.03   0.29   
1_chlorohexane                            −1.23    0.01   2.46      0.03   1.23       0.03   0.00   
1_chloropentane                           −1.22    0.01   2.40      0.02   1.18       0.02   -0.07  
1_chloropropane                           −1.25    0.00   2.17      0.02   0.92       0.02   -0.33  
1_ethylnaphthalene                        −4.61    0.01   1.61      0.03   −3.00    0.03   -2.40  
1_iodobutane                              −1.83    0.01   2.41      0.02   0.58       0.02   -0.25  
1_iodoheptane                             −1.80    0.01   2.99      0.03   1.19       0.03   0.27   
1_iodohexane                              −1.81    0.01   2.47      0.02   0.66       0.02   0.08   
1_iodopentane                             −1.82    0.01   2.48      0.02   0.66       0.02   -0.14  
1_iodopropane                             −1.87    0.01   1.87      0.02   0.00       0.02   -0.53  
1_methyl_imidazole                        −7.06    0.02   0.73      0.02   −6.33    0.03   -8.41  
1_methyl_pyrrole                          −3.90    0.01   1.31      0.02   −2.59    0.02   -2.89  
1_methylcyclohexene                       −0.66    0.00   1.99      0.02   1.33       0.02   0.67   
1_methylnaphthalene                       −4.52    0.01   1.28      0.02   −3.24    0.02   -2.44  
1_naphthol                                −8.31    0.02   0.80      0.02   −7.51    0.03   -7.67  
1_naphthylamine                           −8.63    0.02   0.87      0.02   −7.76    0.03   -7.28  
1_nitrobutane                             −2.43    0.01   0.92      0.02   −1.51    0.02   -3.09  
1_nitropentane                            −2.40    0.01   1.11      0.02   −1.29    0.02   -2.82  
1_nitropropane                            −2.44    0.01   1.06      0.02   −1.38    0.02   -3.34  
222_trifluoroethanol                      −6.05    0.02   2.10      0.02   −3.95    0.03   -4.31  
224_trimethylpentane                      0.02       0.00   2.91      0.03   2.93       0.03   2.89   
225_trimethylhexane                       0.00       0.00   2.86      0.03   2.86       0.03   2.93   
22_dimethylbutane                         0.01       0.00   2.52      0.02   2.53       0.02   2.51   
22_dimethylpentane                        0.01       0.00   2.89      0.02   2.90       0.02   2.88   
22_dimethylpropane                        0.01       0.00   2.59      0.02   2.60       0.02   2.51   
234_trimethylpentane                      0.01       0.00   2.85      0.03   2.86       0.03   2.56   
23_dimethylbuta_13_diene                  −1.11    0.01   2.80      0.02   1.69       0.02   0.40   
23_dimethylbutane                         0.01       0.00   2.68      0.02   2.69       0.02   2.34   
23_dimethylnaphthalene                    −4.43    0.01   1.84      0.02   −2.59    0.02   -2.78  
23_dimethylpentane                        0.00       0.00   2.66      0.03   2.66       0.03   2.52   
23_dimethylphenol                         −6.49    0.02   1.82      0.02   −4.67    0.03   -6.16  
23_dimethylpyridine                       −4.79    0.01   1.52      0.02   −3.27    0.02   -4.82  
24_dimethylpentan_3_one                   −5.13    0.01   2.66      0.02   −2.47    0.02   -2.74  
24_dimethylpentane                        0.00       0.00   2.89      0.03   2.89       0.03   2.83   
24_dimethylphenol                         −6.48    0.02   1.93      0.02   −4.55    0.03   -6.01  
24_dimethylpyridine                       −4.94    0.01   1.76      0.02   −3.18    0.02   -4.86  
25_dimethylphenol                         −5.97    0.02   1.58      0.02   −4.39    0.03   -5.91  
25_dimethylpyridine                       −4.76    0.01   1.93      0.02   −2.83    0.02   -4.72  
25_dimethyltetrahydrofuran                −3.52    0.01   1.63      0.02   −1.89    0.02   -2.92  
26_dimethylaniline                        −6.51    0.02   1.64      0.02   −4.87    0.03   -5.21  
26_dimethylnaphthalene                    −4.42    0.01   1.77      0.03   −2.65    0.03   -2.63  
26_dimethylphenol                         −5.78    0.02   1.69      0.02   −4.09    0.03   -5.26  
26_dimethylpyridine                       −5.15    0.01   1.79      0.02   −3.36    0.02   -4.59  
2_bromo_2_methylpropane                   −1.25    0.01   2.14      0.02   0.89       0.02   0.84   
2_bromopropane                            −1.16    0.01   2.13      0.02   0.97       0.02   -0.48  
2_butoxyethanol                           −5.94    0.02   1.87      0.02   −4.07    0.03   -6.25  
2_chloro_111_trimethoxyethane             −5.40    0.02   2.10      0.03   −3.30    0.04   -4.59  
2_chloro_2_methylpropane                  −1.44    0.01   2.26      0.02   0.82       0.02   1.09   
2_chloroaniline                           −6.04    0.02   1.08      0.02   −4.96    0.03   -4.91  
2_chlorobutane                            −1.35    0.00   2.56      0.02   1.21       0.02   0.00   
2_chlorophenol                            −4.51    0.02   1.28      0.02   −3.23    0.03   -4.55  
2_chloropropane                           −1.40    0.01   2.22      0.02   0.82       0.02   -0.25  
2_chloropyridine                          −4.85    0.01   1.49      0.02   −3.36    0.02   -4.39  
2_chlorotoluene                           −2.18    0.01   1.67      0.02   −0.51    0.02   -1.14  
2_ethoxyethanol                           −6.41    0.02   1.64      0.02   −4.77    0.03   -6.69  
2_ethylpyrazine                           −6.94    0.02   1.26      0.02   −5.68    0.03   -5.45  
2_ethylpyridine                           −4.96    0.01   1.75      0.02   −3.21    0.02   -4.33  
2_ethyltoluene                            −2.85    0.01   2.19      0.03   −0.66    0.03   -1.04  
2_fluorophenol                            −4.89    0.03   1.65      0.02   −3.24    0.03   -5.29  
2_iodophenol                              −3.93    0.03   1.02      0.02   −2.91    0.03   -6.20  
2_iodopropane                             −1.97    0.01   2.26      0.02   0.29       0.02   -0.46  
2_isobutylpyrazine                        −6.81    0.01   1.71      0.03   −5.10    0.03   -5.04  
2_methoxy_111_trimethoxyethane            −7.61    0.02   1.64      0.03   −5.97    0.04   -5.73  
2_methoxyaniline                          −7.69    0.02   1.16      0.02   −6.53    0.03   -6.12  
2_methoxyethanamine                       −7.04    0.02   1.42      0.02   −5.62    0.03   -6.55  
2_methoxyethanol                          −6.92    0.02   1.55      0.02   −5.37    0.03   -6.76  
2_methoxyphenol                           −6.00    0.02   1.26      0.02   −4.74    0.03   -5.57  
2_methyl_but_2_ene                        −0.56    0.00   2.94      0.02   2.38       0.02   1.31   
2_methylbut_2_ene                         −0.55    0.00   2.83      0.02   2.28       0.02   1.31   
2_methylbuta_13_diene                     −1.12    0.01   2.93      0.02   1.81       0.02   0.68   
2_methylbutan_1_ol                        −4.88    0.01   2.10      0.02   −2.78    0.02   -4.42  
2_methylbutan_2_ol                        −5.17    0.02   2.21      0.02   −2.96    0.03   -4.43  
2_methylbutane                            0.01       0.00   2.51      0.02   2.52       0.02   2.38   
2_methylhexane                            0.01       0.00   2.99      0.03   3.00       0.03   2.93   
2_methylpent_1_ene                        −0.40    0.00   3.15      0.02   2.75       0.02   1.47   
2_methylpentan_2_ol                       −5.13    0.01   2.34      0.02   −2.79    0.02   -3.92  
2_methylpentan_3_ol                       −4.75    0.02   2.56      0.02   −2.19    0.03   -3.88  
2_methylpentane                           0.01       0.00   2.77      0.02   2.78       0.02   2.51   
2_methylpropan_1_ol                       −5.02    0.01   2.06      0.02   −2.96    0.02   -4.50  
2_methylpropan_2_ol                       −5.31    0.01   2.22      0.02   −3.09    0.02   -4.47  
2_methylpropane                           0.01       0.00   2.73      0.02   2.74       0.02   2.32   
2_methylpropene                           −0.45    0.00   2.79      0.02   2.34       0.02   1.16   
2_methylpyrazine                          −6.99    0.02   0.89      0.02   −6.10    0.03   -5.51  
2_methylpyridine                          −4.95    0.01   1.54      0.02   −3.41    0.02   -4.63  
2_methyltetrahydrofuran                   −3.39    0.01   1.44      0.02   −1.95    0.02   -3.30  
2_methylthiophene                         −1.90    0.01   1.68      0.02   −0.22    0.02   -1.38  
2_naphthol                                −8.70    0.02   0.82      0.02   −7.88    0.03   -8.11  
2_naphthylamine                           −8.83    0.02   0.96      0.02   −7.87    0.03   -7.47  
2_nitroaniline                            −7.84    0.02   −0.12   0.02   −7.96    0.03   -7.37  
2_nitrophenol                             −5.40    0.02   0.06      0.02   −5.34    0.03   -4.58  
2_nitropropane                            −2.54    0.01   0.93      0.02   −1.61    0.02   -3.13  
2_nitrotoluene                            −3.79    0.01   0.65      0.02   −3.14    0.02   -3.58  
2_phenylethanol                           −7.05    0.02   1.72      0.02   −5.33    0.03   -6.79  
2_propoxyethanol                          −6.14    0.02   1.93      0.02   −4.21    0.03   -6.40  
333_trimethoxypropionitrile               −6.88    0.02   1.95      0.03   −4.93    0.04   -6.40  
33_dimethylbutan_2_one                    −5.18    0.01   2.27      0.02   −2.91    0.02   -3.11  
33_dimethylpentane                        0.01       0.00   2.52      0.03   2.53       0.03   2.56   
34_dimethylphenol                         −6.86    0.02   1.53      0.02   −5.33    0.03   -6.50  
34_dimethylpyridine                       −4.59    0.01   1.41      0.02   −3.18    0.02   -5.22  
35_dimethylphenol                         −7.01    0.02   1.89      0.02   −5.12    0.03   -6.27  
35_dimethylpyridine                       −4.47    0.01   1.53      0.02   −2.94    0.02   -4.84  
3_acetylpyridine                          −8.04    0.02   0.94      0.02   −7.10    0.03   -8.26  
3_chloroaniline                           −6.41    0.01   1.04      0.02   −5.37    0.02   -5.82  
3_chlorophenol                            −6.38    0.02   1.10      0.02   −5.28    0.03   -6.62  
3_chloroprop_1_ene                        −1.48    0.01   2.36      0.02   0.88       0.02   -0.57  
3_chloropyridine                          −3.78    0.01   1.28      0.02   −2.50    0.02   -4.01  
3_cyanophenol                             −8.16    0.02   1.12      0.02   −7.04    0.03   -9.65  
3_cyanopyridine                           −5.79    0.01   1.13      0.02   −4.66    0.02   -6.75  
3_ethylphenol                             −6.91    0.02   1.89      0.02   −5.02    0.03   -6.25  
3_ethylpyridine                           −4.59    0.01   1.63      0.02   −2.96    0.02   -4.59  
3_formylpyridine                          −8.22    0.02   0.58      0.02   −7.64    0.03   -7.10  
3_hydroxybenzaldehyde                     −10.18   0.02   0.94      0.02   −9.24    0.03   -9.50  
3_methoxyaniline                          −8.44    0.02   0.99      0.02   −7.45    0.03   -7.29  
3_methoxyphenol                           −8.10    0.02   1.07      0.02   −7.03    0.03   -7.66  
3_methyl_1h_indole                        −7.53    0.02   0.98      0.02   −6.55    0.03   -5.88  
3_methyl_but_1_ene                        −0.33    0.00   3.13      0.02   2.80       0.02   1.83   
3_methylbut_1_ene                         −0.34    0.00   3.01      0.02   2.67       0.02   1.82   
3_methylbutan_1_ol                        −5.15    0.02   2.23      0.02   −2.92    0.03   -4.42  
3_methylbutan_2_one                       −5.34    0.01   2.41      0.02   −2.93    0.02   -3.24  
3_methylbutanoic_acid                     −6.99    0.02   1.48      0.02   −5.51    0.03   -6.09  
3_methylheptane                           0.01       0.00   3.28      0.03   3.29       0.03   2.97   
3_methylhexane                            0.00       0.00   2.76      0.02   2.76       0.02   2.71   
3_methylpentane                           0.00       0.00   2.72      0.02   2.72       0.02   2.51   
3_methylpyridine                          −4.56    0.01   1.37      0.02   −3.19    0.02   -4.77  
3_nitroaniline                            −8.00    0.02   −0.24   0.02   −8.24    0.03   -8.84  
3_nitrophenol                             −7.45    0.02   −0.21   0.02   −7.66    0.03   -9.62  
3_nitrotoluene                            −3.51    0.01   0.35      0.02   −3.16    0.02   -3.45  
3_phenylpropanol                          −7.38    0.03   1.88      0.02   −5.50    0.03   -6.92  
4_acetylpyridine                          −8.38    0.02   0.75      0.02   −7.63    0.03   -7.62  
4_bromophenol                             −6.59    0.01   1.12      0.02   −5.47    0.02   -7.13  
4_bromotoluene                            −2.20    0.01   2.24      0.02   0.04       0.02   -1.39  
4_chloro_3_methylphenol                   −6.38    0.02   1.48      0.02   −4.90    0.03   -6.79  
4_chloroaniline                           −6.47    0.01   1.19      0.02   −5.28    0.02   -5.90  
4_chlorophenol                            −6.53    0.01   1.17      0.02   −5.36    0.02   -7.03  
4_cyanophenol                             −8.72    0.02   1.11      0.02   −7.61    0.03   -10.17 
4_cyanopyridine                           −5.99    0.01   1.02      0.02   −4.97    0.02   -6.02  
4_ethylphenol                             −7.07    0.02   1.99      0.02   −5.08    0.03   -6.13  
4_ethylpyridine                           −4.72    0.01   1.85      0.02   −2.87    0.02   -4.73  
4_ethyltoluene                            −2.78    0.01   2.73      0.02   −0.05    0.02   -0.95  
4_fluorophenol                            −6.51    0.02   1.52      0.02   −4.99    0.03   -6.19  
4_formylpyridine                          −8.13    0.02   0.82      0.02   −7.31    0.03   -7.00  
4_hydroxybenzaldehyde                     −10.85   0.02   0.85      0.02   −10.00   0.03   -8.83  
4_isopropyltoluene                        −2.53    0.01   2.73      0.03   0.20       0.03   -0.68  
4_methoxyacetophenone                     −7.89    0.01   1.60      0.03   −6.29    0.03   -4.40  
4_methoxyaniline                          −8.09    0.02   1.17      0.02   −6.92    0.03   -7.48  
4_methyl_1h_imidazole                     −8.85    0.02   0.86      0.02   −7.99    0.03   -10.27 
4_methylacetophenone                      −6.70    0.02   1.88      0.02   −4.82    0.03   -4.70  
4_methylbenzaldehyde                      −6.43    0.02   1.53      0.02   −4.90    0.03   -4.27  
4_methylpentan_2_ol                       −5.10    0.01   2.35      0.02   −2.75    0.02   -3.73  
4_methylpentan_2_one                      −5.28    0.01   2.32      0.02   −2.96    0.02   -3.05  
4_methylpyridine                          −4.73    0.01   1.32      0.02   −3.41    0.02   -4.93  
4_n_propylphenol                          −6.96    0.01   1.46      0.02   −5.50    0.02   -5.90  
4_nitroaniline                            −9.03    0.02   −0.20   0.02   −9.23    0.03   -10.27 
4_nitrophenol                             −8.04    0.01   −0.18   0.02   −8.22    0.02   -10.64 
4_tert_butylphenol                        −7.21    0.02   1.67      0.03   −5.54    0.04   -5.91  
E_12_dichloroethene                       −0.87    0.00   2.07      0.02   1.20       0.02   -0.78  
E_but_2_enal                              −5.82    0.01   2.16      0.02   −3.66    0.02   -4.22  
E_hept_2_ene                              −0.43    0.00   3.26      0.02   2.83       0.02   1.68   
E_hex_2_enal                              −5.48    0.01   2.26      0.02   −3.22    0.02   -3.68  
E_oct_2_enal                              −5.37    0.01   2.90      0.03   −2.47    0.03   -3.43  
NN_dimethyl_p_methoxybenzamide            −10.16   0.02   0.87      0.04   −9.29    0.04   -11.01 
NN_dimethyl_p_methylbenzamide             −9.10    0.02   1.59      0.04   −7.51    0.04   -9.76  
NN_dimethyl_p_nitrobenzamide              −9.24    0.02   −0.68   0.03   −9.92    0.04   -11.95 
NN_dimethylaniline                        −6.13    0.01   1.43      0.02   −4.70    0.02   -3.45  
NN_dimethylbenzamide                      −9.17    0.02   1.19      0.03   −7.98    0.04   -9.29  
NN_dimethylformamide                      −8.13    0.02   1.27      0.02   −6.86    0.03   -7.81  
N_acetylpyrrolidine                       −8.86    0.01   0.89      0.02   −7.97    0.02   -9.80  
N_methyl_N__222_trifluoroethyl__aniline   −6.24    0.01   2.55      0.03   −3.69    0.03   -1.92  
N_methylacetamide                         −9.93    0.02   1.54      0.02   −8.39    0.03   -10.00 
N_methylaniline                           −7.10    0.02   1.36      0.02   −5.74    0.03   -4.69  
N_methylmorpholine                        −6.46    0.02   0.59      0.02   −5.87    0.03   -6.32  
N_methylpiperazine                        −8.40    0.02   0.10      0.02   −8.30    0.03   -7.77  
N_methylpiperidine                        −4.18    0.01   0.97      0.02   −3.21    0.02   -3.88  
Z_12_dichloroethene                       −1.72    0.01   2.03      0.02   0.31       0.02   -1.17  
Z_pent_2_ene                              −0.42    0.00   2.97      0.02   2.55       0.02   1.31   
acenaphthene                              −4.89    0.01   1.38      0.03   −3.51    0.03   -3.15  
acetaldehyde                              −5.18    0.01   1.79      0.02   −3.39    0.02   -3.50  
acetic_acid                               −7.07    0.02   1.12      0.01   −5.95    0.02   -6.69  
acetonitrile                              −3.77    0.01   2.10      0.01   −1.67    0.01   -3.88  
acetophenone                              −6.67    0.02   1.60      0.02   −5.07    0.03   -4.58  
alpha_methylstyrene                       −3.53    0.01   2.27      0.02   −1.26    0.02   -1.24  
ammonia                                   −5.82    0.01   1.78      0.01   −4.04    0.01   -4.29  
aniline                                   −7.00    0.01   1.08      0.02   −5.92    0.02   -5.49  
anisole                                   −3.98    0.01   1.68      0.02   −2.30    0.02   -2.45  
anthracene                                −5.97    0.01   0.58      0.03   −5.39    0.03   -3.95  
azetidine                                 −5.09    0.01   1.68      0.02   −3.41    0.02   -5.56  
benzaldehyde                              −6.36    0.01   1.37      0.02   −4.99    0.02   -4.02  
benzamide                                 −10.97   0.02   0.78      0.02   −10.19   0.03   -11.00 
benzene                                   −2.70    0.01   2.00      0.02   −0.70    0.02   -0.86  
benzonitrile                              −4.13    0.01   1.39      0.02   −2.74    0.02   -4.21  
benzotrifluoride                          −3.02    0.01   2.47      0.02   −0.55    0.02   -0.25  
benzyl_alcohol                            −6.94    0.02   1.53      0.02   −5.41    0.03   -6.62  
benzyl_bromide                            −3.13    0.01   1.99      0.02   −1.14    0.02   -2.38  
benzyl_chloride                           −3.37    0.01   1.81      0.02   −1.56    0.02   -1.93  
biphenyl                                  −4.97    0.01   1.58      0.02   −3.39    0.02   -2.66  
bis_2_chloroethyl__ether                  −3.78    0.01   1.92      0.02   −1.86    0.02   -4.23  
bromobenzene                              −2.20    0.01   1.83      0.02   −0.37    0.02   -1.46  
bromoethane                               −1.01    0.01   1.94      0.02   0.93       0.02   -0.74  
bromomethane                              −0.89    0.00   1.98      0.01   1.09       0.01   -0.82  
bromotrifluoromethane                     −0.38    0.00   2.41      0.02   2.03       0.02   1.79   
but_1_ene                                 −0.37    0.00   2.85      0.02   2.48       0.02   1.38   
but_1_yne                                 −0.86    0.00   2.79      0.02   1.93       0.02   -0.16  
buta_13_diene                             −0.96    0.01   2.89      0.02   1.93       0.02   0.61   
butan_1_ol                                −5.12    0.01   1.98      0.02   −3.14    0.02   -4.72  
butan_2_ol                                −5.20    0.02   2.08      0.02   −3.12    0.03   -4.62  
butanenitrile                             −3.57    0.01   2.16      0.02   −1.41    0.02   -3.64  
butanoic_acid                             −6.92    0.02   1.46      0.02   −5.46    0.03   -6.35  
butanone                                  −5.05    0.01   2.08      0.02   −2.97    0.02   -3.71  
butyraldehyde                             −5.07    0.01   2.06      0.02   −3.01    0.02   -3.18  
chlorobenzene                             −2.13    0.01   1.53      0.02   −0.60    0.02   -1.12  
chlorodifluoromethane                     −2.32    0.01   2.28      0.02   −0.04    0.02   -0.50  
chloroethane                              −1.26    0.01   2.04      0.02   0.78       0.02   -0.63  
chloroethylene                            −1.06    0.00   2.28      0.02   1.22       0.02   -0.59  
chlorofluoromethane                       −2.25    0.01   2.03      0.01   −0.22    0.01   -0.77  
chloromethane                             −1.14    0.01   1.95      0.01   0.81       0.01   -0.55  
cis_12_dimethylcyclohexane                0.02       0.00   2.03      0.02   2.05       0.02   1.58   
cyanobenzene                              −4.14    0.01   1.76      0.02   −2.38    0.02   -4.10  
cyclohepta_135_triene                     −1.97    0.01   2.12      0.02   0.15       0.02   -0.99  
cycloheptanol                             −5.14    0.01   0.99      0.05   −4.15    0.05   -5.48  
cyclohexane                               0.01       0.00   1.66      0.02   1.67       0.02   1.23   
cyclohexanol                              −5.28    0.01   1.02      0.02   −4.26    0.02   -5.46  
cyclohexanone                             −5.14    0.01   1.30      0.02   −3.84    0.02   -4.91  
cyclohexene                               −0.53    0.00   2.09      0.02   1.56       0.02   0.37   
cyclohexylamine                           −5.08    0.01   1.14      0.02   −3.94    0.02   -4.59  
cyclopentane                              0.01       0.00   1.52      0.02   1.53       0.02   1.20   
cyclopentanol                             −5.27    0.01   1.12      0.02   −4.15    0.02   -5.49  
cyclopentanone                            −4.85    0.01   1.14      0.02   −3.71    0.02   -4.70  
cyclopentene                              −0.58    0.00   1.96      0.02   1.38       0.02   0.56   
cyclopropane                              −0.03    0.00   2.67      0.02   2.64       0.02   0.75   
decan_1_ol                                −5.16    0.01   2.67      0.03   −2.49    0.03   -3.64  
decan_2_one                               −5.26    0.01   3.28      0.03   −1.98    0.03   -2.34  
di_isopropyl_sulfide                      −2.56    0.01   2.66      0.02   0.10       0.02   -1.21  
di_n_butyl_ether                          −2.65    0.01   3.24      0.03   0.59       0.03   -0.83  
di_n_butylamine                           −4.71    0.01   3.08      0.03   −1.63    0.03   -3.24  
di_n_propyl_ether                         −2.67    0.01   2.88      0.02   0.21       0.02   -1.16  
di_n_propyl_sulfide                       −2.15    0.01   2.64      0.02   0.49       0.02   -1.28  
di_n_propylamine                          −4.76    0.01   2.50      0.02   −2.26    0.02   -3.65  
dibromomethane                            −1.10    0.00   1.97      0.02   0.87       0.02   -1.96  
dichloromethane                           −1.60    0.01   1.83      0.01   0.23       0.01   -1.31  
diethoxymethoxybenzene                    −7.19    0.02   2.75      0.03   −4.44    0.04   -5.23  
diethyl_disulfide                         −2.51    0.01   2.44      0.02   −0.07    0.02   -1.64  
diethyl_ether                             −3.02    0.01   2.32      0.02   −0.70    0.02   -1.59  
diethyl_malonate                          −8.27    0.02   1.82      0.03   −6.45    0.04   -6.00  
diethyl_succinate                         −10.32   0.02   1.85      0.03   −8.47    0.04   -5.71  
diethyl_sulfide                           −2.18    0.01   2.39      0.02   0.21       0.02   -1.46  
diethylamine                              −4.93    0.01   2.21      0.02   −2.72    0.02   -4.07  
diiodomethane                             −2.30    0.01   1.56      0.02   −0.74    0.02   -2.49  
diisopropyl_ether                         −3.01    0.01   2.90      0.02   −0.11    0.02   -0.53  
diisopropylamine                          −4.60    0.01   2.63      0.02   −1.97    0.02   -3.22  
dimethoxymethane                          −4.33    0.01   1.64      0.02   −2.69    0.02   -2.93  
dimethyl_disulfide                        −0.72    0.00   2.20      0.02   1.48       0.02   -1.83  
dimethyl_ether                            −2.70    0.01   1.85      0.02   −0.85    0.02   -1.91  
dimethyl_sulfate                          −8.13    0.01   0.28      0.02   −7.85    0.02   -5.10  
dimethyl_sulfide                          −1.70    0.01   1.96      0.02   0.26       0.02   -1.61  
dimethyl_sulfone                          −11.21   0.02   0.85      0.02   −10.36   0.03   -10.08 
dimethyl_sulfoxide                        −9.68    0.02   1.36      0.02   −8.32    0.03   -8.71  
dimethylamine                             −4.72    0.01   1.61      0.02   −3.11    0.02   -4.29  
ethanamide                                −9.94    0.02   1.32      0.02   −8.62    0.03   -9.71  
ethane                                    0.00       0.00   2.58      0.01   2.58       0.01   1.83   
ethanethiol                               −2.49    0.01   2.09      0.02   −0.40    0.02   -1.14  
ethanol                                   −5.20    0.02   1.75      0.02   −3.45    0.03   -5.00  
ethene                                    −0.30    0.00   2.66      0.01   2.36       0.01   1.28   
ethyl_acetate                             −5.14    0.01   1.91      0.02   −3.23    0.02   -2.94  
ethyl_benzoate                            −6.33    0.01   1.65      0.02   −4.68    0.02   -3.64  
ethyl_butanoate                           −5.39    0.01   2.35      0.02   −3.04    0.02   -2.49  
ethyl_formate                             −4.52    0.01   1.53      0.02   −2.99    0.02   -2.56  
ethyl_hexanoate                           −5.43    0.02   2.63      0.03   −2.80    0.04   -2.23  
ethyl_pentanoate                          −5.47    0.01   2.38      0.03   −3.09    0.03   -2.49  
ethyl_phenyl_ether                        −4.12    0.01   2.11      0.02   −2.01    0.02   -2.22  
ethyl_propanoate                          −5.51    0.01   2.12      0.02   −3.39    0.02   -2.68  
ethylamine                                −5.00    0.01   1.86      0.02   −3.14    0.02   -4.50  
ethylbenzene                              −2.76    0.01   2.17      0.02   −0.59    0.02   -0.79  
fluorene                                  −5.31    0.01   1.02      0.02   −4.29    0.02   -3.35  
fluorobenzene                             −2.10    0.01   2.03      0.02   −0.07    0.02   -0.80  
fluoromethane                             −1.61    0.01   2.40      0.01   0.79       0.01   -0.22  
formaldehyde                              −4.87    0.01   1.65      0.01   −3.22    0.01   -2.75  
halothane                                 −1.59    0.01   2.29      0.02   0.70       0.02   -0.11  
hept_1_ene                                −0.33    0.00   3.30      0.02   2.97       0.02   1.66   
hept_1_yne                                −0.80    0.00   3.08      0.02   2.28       0.02   0.60   
heptan_1_ol                               −5.09    0.01   2.37      0.02   −2.72    0.02   -4.21  
heptan_2_one                              −5.30    0.01   2.50      0.02   −2.80    0.02   -3.04  
heptan_4_one                              −5.19    0.01   2.51      0.02   −2.68    0.02   -2.92  
heptanal                                  −5.06    0.01   2.43      0.03   −2.63    0.03   -2.67  
hex_1_ene                                 −0.33    0.00   2.92      0.02   2.59       0.02   1.58   
hex_1_yne                                 −0.81    0.00   2.91      0.02   2.10       0.02   0.29   
hexa_15_diene                             −0.65    0.01   3.09      0.02   2.44       0.02   1.01   
hexafluoropropene                         −1.17    0.01   3.46      0.02   2.29       0.02   -3.76  
hexan_1_ol                                −5.08    0.01   2.05      0.02   −3.03    0.02   -4.40  
hexan_2_one                               −5.28    0.01   2.51      0.02   −2.77    0.02   -3.28  
hexan_3_ol                                −4.96    0.01   2.33      0.02   −2.63    0.02   -4.06  
hexanal                                   −5.09    0.01   2.13      0.02   −2.96    0.02   -2.81  
hexanoic_acid                             −6.93    0.02   1.85      0.02   −5.08    0.03   -6.21  
hydrazine                                 −8.36    0.02   1.26      0.01   −7.10    0.02   -9.30  
hydrogen_sulfide                          −3.05    0.01   1.88      0.01   −1.17    0.01   -0.70  
imidazole                                 −8.49    0.02   0.64      0.02   −7.85    0.03   -9.63  
indane                                    −2.97    0.01   1.27      0.02   −1.70    0.02   -1.46  
iodobenzene                               −2.11    0.01   1.77      0.02   −0.34    0.02   -1.74  
iodoethane                                −1.93    0.01   1.83      0.02   −0.10    0.02   -0.74  
iodomethane                               −1.90    0.01   1.93      0.01   0.03       0.01   -0.89  
isoamyl_acetate                           −5.44    0.01   2.39      0.03   −3.05    0.03   -2.21  
isoamyl_formate                           −5.17    0.01   1.78      0.02   −3.39    0.02   -2.13  
isobutyl_acetate                          −5.23    0.01   2.43      0.02   −2.80    0.02   -2.36  
isobutyl_formate                          −5.00    0.01   1.79      0.02   −3.21    0.02   -2.22  
isobutyl_isobutanoate                     −5.29    0.01   2.74      0.03   −2.55    0.03   -1.69  
isobutylbenzene                           −2.66    0.01   2.66      0.02   0.00       0.02   0.16   
isobutyraldehyde                          −4.98    0.01   2.05      0.02   −2.93    0.02   -2.86  
isoflurane                                −4.21    0.01   2.83      0.02   −1.38    0.02   0.10   
isopropyl_acetate                         −5.15    0.02   2.23      0.02   −2.92    0.03   -2.64  
isopropyl_formate                         −4.37    0.01   1.73      0.02   −2.64    0.02   -2.02  
isopropylbenzene                          −2.86    0.01   2.55      0.02   −0.31    0.02   -0.30  
m_bis_trifluoromethyl__benzene            −4.19    0.01   2.61      0.03   −1.58    0.03   1.07   
m_cresol                                  −6.94    0.02   1.66      0.02   −5.28    0.03   -5.49  
m_xylene                                  −2.71    0.01   2.54      0.02   −0.17    0.02   -0.83  
methane                                   0.00       0.00   2.54      0.01   2.54       0.01   1.99   
methanesulfonyl_chloride                  −6.85    0.01   0.52      0.02   −6.33    0.02   -4.87  
methanethiol                              −2.25    0.01   1.99      0.01   −0.26    0.01   -1.24  
methanol                                  −5.15    0.01   1.67      0.01   −3.48    0.01   -5.10  
methoxyflurane                            −2.49    0.01   1.78      0.02   −0.71    0.02   -1.12  
methyl_acetate                            −5.44    0.01   1.71      0.02   −3.73    0.02   -3.13  
methyl_benzoate                           −6.30    0.02   1.24      0.02   −5.06    0.03   -3.92  
methyl_butanoate                          −5.36    0.01   2.04      0.02   −3.32    0.02   -2.83  
methyl_chloroacetate                      −5.16    0.01   1.24      0.02   −3.92    0.02   -4.00  
methyl_cyanoacetate                       −6.89    0.01   1.38      0.02   −5.51    0.02   -6.72  
methyl_cyclohexanecarboxylate             −5.51    0.01   1.22      0.02   −4.29    0.02   -3.30  
methyl_cyclohexyl_ketone                  −5.38    0.01   1.48      0.02   −3.90    0.02   -3.90  
methyl_cyclopropanecarboxylate            −6.30    0.02   1.81      0.03   −4.49    0.04   -4.10  
methyl_cyclopropyl_ketone                 −5.82    0.01   2.08      0.02   −3.74    0.02   -4.61  
methyl_ethyl_ether                        −2.84    0.01   2.02      0.02   −0.82    0.02   -2.10  
methyl_ethyl_sulfide                      −1.93    0.01   2.27      0.02   0.34       0.02   -1.50  
methyl_formate                            −4.48    0.01   1.31      0.02   −3.17    0.02   -2.78  
methyl_hexanoate                          −5.36    0.01   2.34      0.03   −3.02    0.03   -2.49  
methyl_isopropyl_ether                    −2.89    0.01   2.14      0.02   −0.75    0.02   -2.01  
methyl_methanesulfonate                   −8.81    0.02   0.52      0.02   −8.29    0.03   -4.87  
methyl_octanoate                          −5.31    0.01   2.37      0.03   −2.94    0.03   -2.04  
methyl_p_methoxybenzoate                  −7.45    0.01   1.13      0.03   −6.32    0.03   -5.33  
methyl_p_nitrobenzoate                    −6.27    0.01   −0.12   0.03   −6.39    0.03   -6.88  
methyl_pentanoate                         −5.43    0.01   1.92      0.02   −3.51    0.02   -2.56  
methyl_propanoate                         −5.47    0.01   1.64      0.02   −3.83    0.02   -2.93  
methyl_propyl_ether                       −2.76    0.01   2.35      0.02   −0.41    0.02   -1.66  
methyl_t_butyl_ether                      −2.95    0.01   2.35      0.02   −0.60    0.02   -2.21  
methyl_tert_butyl_ether                   −2.90    0.01   2.22      0.02   −0.68    0.02   -2.21  
methyl_trifluoroacetate                   −3.40    0.01   2.01      0.02   −1.39    0.02   -1.10  
methyl_trimethylacetate                   −5.28    0.01   2.29      0.02   −2.99    0.02   -2.40  
methylamine                               −5.13    0.01   1.69      0.01   −3.44    0.01   -4.55  
methylcyclohexane                         0.01       0.00   1.81      0.02   1.82       0.02   1.70   
methylcyclopentane                        0.00       0.00   2.12      0.02   2.12       0.02   1.59   
morpholine                                −6.62    0.01   0.34      0.02   −6.28    0.02   -7.17  
n_butane                                  0.01       0.00   2.53      0.02   2.54       0.02   2.07   
n_butanethiol                             −2.39    0.01   2.27      0.02   −0.12    0.02   -0.99  
n_butyl_acetate                           −5.45    0.01   2.28      0.02   −3.17    0.02   -2.64  
n_butylacetamide                          −9.76    0.02   1.62      0.02   −8.14    0.03   -9.31  
n_butylamine                              −5.11    0.01   2.29      0.02   −2.82    0.02   -4.24  
n_butylbenzene                            −2.76    0.01   2.46      0.02   −0.30    0.02   -0.40  
n_decane                                  0.01       0.00   3.42      0.03   3.43       0.03   3.16   
n_heptane                                 0.01       0.00   3.19      0.02   3.20       0.02   2.67   
n_heptylamine                             −4.89    0.01   2.17      0.03   −2.72    0.03   -3.79  
n_hexane                                  0.01       0.00   3.04      0.02   3.05       0.02   2.48   
n_hexyl_acetate                           −5.49    0.01   2.52      0.03   −2.97    0.03   -2.26  
n_hexylamine                              −4.88    0.01   2.34      0.02   −2.54    0.02   -3.95  
n_hexylbenzene                            −2.71    0.01   2.95      0.03   0.24       0.03   -0.04  
n_nonane                                  0.01       0.00   3.31      0.03   3.32       0.03   3.13   
n_octane                                  0.01       0.00   3.12      0.03   3.13       0.03   2.88   
n_octylamine                              −5.12    0.01   2.74      0.03   −2.38    0.03   -3.65  
n_pentane                                 0.01       0.00   2.66      0.02   2.67       0.02   2.32   
n_pentyl_acetate                          −5.40    0.01   2.57      0.03   −2.83    0.03   -2.51  
n_pentyl_propanoate                       −5.96    0.01   2.60      0.03   −3.36    0.03   -2.11  
n_pentylamine                             −5.12    0.01   2.13      0.02   −2.99    0.02   -4.09  
n_pentylbenzene                           −2.75    0.01   2.80      0.03   0.05       0.03   -0.23  
n_pentylcyclopentane                      0.00       0.00   2.39      0.03   2.39       0.03   2.55   
n_propanethiol                            −2.41    0.01   2.10      0.02   −0.31    0.02   -1.06  
n_propyl_acetate                          −5.30    0.01   1.97      0.02   −3.33    0.02   -2.79  
n_propyl_butyrate                         −5.35    0.01   2.47      0.03   −2.88    0.03   -2.28  
n_propyl_formate                          −5.03    0.01   1.53      0.02   −3.50    0.02   -2.48  
n_propyl_propanoate                       −5.45    0.01   2.50      0.02   −2.95    0.02   -2.44  
n_propylamine                             −4.83    0.01   1.78      0.02   −3.05    0.02   -4.39  
n_propylbenzene                           −2.72    0.01   2.73      0.02   0.01       0.02   -0.53  
n_propylcyclopentane                      0.00       0.00   2.15      0.02   2.15       0.02   2.13   
naphthalene                               −4.51    0.01   1.17      0.02   −3.34    0.02   -2.40  
nitrobenzene                              −3.63    0.01   0.23      0.02   −3.40    0.02   -4.12  
nitroethane                               −2.47    0.01   0.74      0.02   −1.73    0.02   -3.71  
nitromethane                              −2.53    0.01   0.50      0.01   −2.03    0.01   -4.02  
non_1_ene                                 −0.33    0.00   3.24      0.03   2.91       0.03   2.06   
nonan_1_ol                                −5.10    0.01   2.56      0.03   −2.54    0.03   -3.88  
nonan_2_one                               −5.29    0.01   2.78      0.03   −2.51    0.03   -2.49  
nonan_5_one                               −5.20    0.01   2.86      0.03   −2.34    0.03   -2.64  
nonanal                                   −5.09    0.01   2.58      0.03   −2.51    0.03   -2.07  
o_cresol                                  −6.55    0.01   1.46      0.02   −5.09    0.02   -5.87  
o_toluidine                               −6.81    0.02   1.44      0.02   −5.37    0.03   -5.53  
o_xylene                                  −2.75    0.01   2.23      0.02   −0.52    0.02   -0.90  
oct_1_ene                                 −0.33    0.00   3.10      0.03   2.77       0.03   1.92   
oct_1_yne                                 −0.83    0.00   3.29      0.02   2.46       0.02   0.71   
octan_1_ol                                −5.13    0.01   2.48      0.03   −2.65    0.03   -4.09  
octan_2_one                               −5.31    0.01   3.01      0.03   −2.30    0.03   -2.88  
octanal                                   −5.12    0.01   2.55      0.03   −2.57    0.03   -2.29  
p_cresol                                  −6.95    0.01   1.59      0.02   −5.36    0.02   -6.13  
p_dibromobenzene                          −1.70    0.01   1.69      0.02   −0.01    0.02   -2.30  
p_toluidine                               −6.91    0.02   1.35      0.02   −5.56    0.03   -5.57  
p_xylene                                  −2.71    0.01   2.04      0.02   −0.67    0.02   -0.80  
pent_1_ene                                −0.34    0.00   2.78      0.02   2.44       0.02   1.68   
pent_1_yne                                −0.81    0.01   2.74      0.02   1.93       0.02   0.01   
penta_14_diene                            −0.70    0.00   2.88      0.02   2.18       0.02   0.93   
pentachloroethane                         −1.13    0.01   1.44      0.02   0.31       0.02   -1.39  
pentan_1_ol                               −5.13    0.01   1.99      0.02   −3.14    0.02   -4.57  
pentan_2_ol                               −5.19    0.01   2.32      0.02   −2.87    0.02   -4.39  
pentan_2_one                              −5.25    0.01   1.96      0.02   −3.29    0.02   -3.52  
pentan_3_ol                               −4.89    0.01   1.94      0.02   −2.95    0.02   -4.35  
pentan_3_one                              −5.23    0.01   2.29      0.02   −2.94    0.02   -3.41  
pentanal                                  −5.08    0.01   2.12      0.02   −2.96    0.02   -3.03  
pentanenitrile                            −3.56    0.01   2.32      0.02   −1.24    0.02   -3.52  
pentanoic_acid                            −7.01    0.06   1.64      0.02   −5.37    0.06   -6.16  
phenanthrene                              −6.00    0.01   0.85      0.03   −5.15    0.03   -3.88  
phenol                                    −7.01    0.02   1.34      0.02   −5.67    0.03   -6.61  
phenyl_formate                            −6.26    0.01   1.43      0.02   −4.83    0.02   -3.82  
phenyl_methyl_sulfide                     −3.14    0.01   1.93      0.02   −1.21    0.02   -2.73  
phenyl_trifluoroethyl_ether               −5.49    0.01   2.56      0.02   −2.93    0.02   -1.29  
piperazine                                −8.72    0.02   0.38      0.02   −8.34    0.03   -7.40  
piperidine                                −4.68    0.01   1.22      0.02   −3.46    0.02   -5.11  
prop_2_en_1_ol                            −5.18    0.02   1.95      0.02   −3.23    0.03   -5.03  
propan_1_ol                               −5.10    0.01   1.98      0.02   −3.12    0.02   -4.85  
propan_2_ol                               −5.29    0.01   2.01      0.02   −3.28    0.02   -4.74  
propane                                   0.00       0.00   2.56      0.02   2.56       0.02   1.96   
propanenitrile                            −3.61    0.01   2.34      0.02   −1.27    0.02   -3.84  
propanoic_acid                            −7.64    0.02   1.23      0.02   −6.41    0.03   -6.46  
propanone                                 −5.31    0.01   1.95      0.02   −3.36    0.02   -3.80  
propene                                   −0.37    0.00   2.81      0.02   2.44       0.02   1.32   
propionaldehyde                           −5.06    0.01   1.98      0.02   −3.08    0.02   -3.43  
propyne                                   −0.87    0.00   2.66      0.02   1.79       0.02   -0.48  
pyrene                                    −7.03    0.01   0.41      0.03   −6.62    0.03   -4.52  
pyridine                                  −4.75    0.01   1.30      0.02   −3.45    0.02   -4.69  
pyrrole                                   −5.16    0.01   1.29      0.02   −3.87    0.02   -4.78  
pyrrolidine                               −4.89    0.01   0.98      0.02   −3.91    0.02   -5.48  
quinoline                                 −5.70    0.01   0.83      0.02   −4.87    0.02   -5.72  
sec_butylbenzene                          −2.72    0.01   2.76      0.03   0.04       0.03   -0.45  
styrene                                   −3.34    0.01   2.02      0.02   −1.32    0.02   -1.24  
teflurane                                 −1.99    0.01   2.45      0.02   0.46       0.02   0.50   
tert_butylbenzene                         −2.98    0.01   2.56      0.03   −0.42    0.03   -0.44  
tetrachloroethene                         −0.09    0.00   1.50      0.02   1.41       0.02   0.10   
tetrachloromethane                        −0.13    0.00   1.54      0.02   1.41       0.02   0.08   
tetrafluoromethane                        −0.38    0.00   2.80      0.01   2.42       0.01   3.12   
tetrahydrofuran                           −3.30    0.01   1.23      0.02   −2.07    0.02   -3.47  
tetrahydropyran                           −2.80    0.01   1.02      0.02   −1.78    0.02   -3.12  
thiophene                                 −1.88    0.01   1.54      0.02   −0.34    0.02   -1.42  
thiophenol                                −3.26    0.01   1.83      0.02   −1.43    0.02   -2.55  
toluene                                   −2.70    0.01   1.99      0.02   −0.71    0.02   -0.89  
trans_14_dimethylcyclohexane              0.01       0.00   2.04      0.02   2.05       0.02   2.11   
triacetyl_glycerol                        −13.83   0.08   0.52      0.03   −13.31   0.08   -8.84  
tribromomethane                           −0.70    0.00   1.58      0.02   0.88       0.02   -2.13  
trichloroethene                           −0.82    0.00   1.81      0.02   0.99       0.02   -0.44  
trichloromethane                          −1.23    0.00   1.55      0.02   0.32       0.02   -1.08  
triethyl_phosphate                        −11.94   0.02   1.88      0.03   −10.06   0.04   -7.54  
triethylamine                             −4.28    0.01   2.45      0.03   −1.83    0.03   -3.22  
trimethoxy_methane                        −5.97    0.02   1.91      0.02   −4.06    0.03   -4.42  
trimethoxymethylbenzene                   −7.42    0.02   1.59      0.03   −5.83    0.04   -4.04  
trimethyl_phosphate                       −11.33   0.02   0.74      0.02   −10.59   0.03   -8.70  
trimethylamine                            −4.15    0.01   1.83      0.02   −2.32    0.02   -3.20  
undecan_2_one                             −5.26    0.01   3.14      0.03   −2.12    0.03   -2.15  
